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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 70, 1990 - Issue 3
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Original Articles

An ab initio calculation of the rotational-vibrational energies in the electronic ground state of NH2

Per Jensen Physikalisch-Chemisches Institut, Justus-Liebig-Universität Giessen, Heinrich-Buff-Ring 58, D-6300, Giessen, West GermanyView further author information
,
Robert J. Buenker FB 9-Theoretische Chemie, Bergische Universität-Gesamthochschule Wuppertal, Gaußstraße 20, D-5600, Wuppertal 1, West Germany
,
Gerhard Hirsch FB 9-Theoretische Chemie, Bergische Universität-Gesamthochschule Wuppertal, Gaußstraße 20, D-5600, Wuppertal 1, West Germany
&
Sachchida N. Rai FB 9-Theoretische Chemie, Bergische Universität-Gesamthochschule Wuppertal, Gaußstraße 20, D-5600, Wuppertal 1, West Germany; Department of Chemistry, North-Eastern Hill University, Shillong, 793003, IndiaView further author information
Pages 443-454 | Received 19 Oct 1989, Accepted 14 Mar 1990, Published online: 22 Aug 2006

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Wolfgang Gabriel, Gilberte Chambaud, Pavel Rosmus, Stuart Carter & NicholasC. Handy. (1994) Theoretical study of the Renner-Teller à 2A1-[Xtilde] 2B1 system of NH2 . Molecular Physics 81:6, pages 1445-1461.
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Articles from other publishers (20)

Dequan Wang, Guang Shi, Liwei Fu, Ruilin Yin & Youbo Ji. (2019) Accurate Potential Energy Surfaces for the Three Lowest Electronic States of N( 2 D) + H 2 (X 1 ∑ g + ) Scattering Reaction . ACS Omega 4:7, pages 12167-12174.
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Yong-Qing Li, Yun-Fan Yang, Yang Yu, Yong-Jia Zhang & Feng-Cai Ma. (2016) Energy and rotation-dependent stereodynamics of reaction. Chinese Physics B 25:2, pages 023401.
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Yong-Qing Li, Yong-Jia Zhang, Jin-Feng Zhao, Mei-Yu Zhao & Yong Ding. (2015) Vector correlations study of the reaction N( 2 D)+H 2 (X 1 Σ g + )→NH(a 1 Δ)+H( 2 S) with different collision energies and reagent vibration excitations . Chinese Physics B 24:11, pages 113402.
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Y. Q. Li, F. C. Ma & M. T. Sun. (2013) Accurate ab initio -based adiabatic global potential energy surface for the 22 A ″ state of NH2 by extrapolation to the complete basis set limit . The Journal of Chemical Physics 139:15.
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Yongqing Li, Jiuchuang Yuan, Maodu Chen, Fengcai Ma & Mengtao Sun. (2013) Accurate double many‐body expansion potential energy surface by extrapolation to the complete basis set limit and dynamics calculations for ground state of NH 2 . Journal of Computational Chemistry 34:19, pages 1686-1696.
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Yong Q. Li & António J. C. Varandas. (2012) Accurate ab initio ‐based double many‐body expansion adiabatic potential energy surface for the 2 2 A ′ state of NH 2 by extrapolation to the complete basis set limit . International Journal of Quantum Chemistry 112:17, pages 2932-2939.
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Y. Q. Li & A. J. C. Varandas. (2010) Accurate Potential Energy Surface for the 1 2 A′ State of NH 2 : Scaling of External Correlation Versus Extrapolation to the Complete Basis Set Limit . The Journal of Physical Chemistry A 114:36, pages 9644-9654.
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J. Öjekull, P. U. Andersson, M. B. Någård, J. B. C. Pettersson, A. M. Derkatch, A. Neau, S. Rosén, R. Thomas, M. Larsson, F. Österdahl, J. Semaniak, H. Danared, A. Källberg, M. af. Ugglas & N. Marković. (2004) Dissociative recombination of NH4+ and ND4+ ions: Storage ring experiments and ab initio molecular dynamics . The Journal of Chemical Physics 120:16, pages 7391-7399.
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J. Demaison, L. Margulès & James E. Boggs. (2003) Equilibrium structure and force field of NH 2 . Phys. Chem. Chem. Phys. 5:16, pages 3359-3363.
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Alexander Alijah & Geoffrey Duxbury. (2002) Stretch-Bender Calculations of the Rovibronic Energies in the X̃2B1 Electronic Ground State of NH2. Journal of Molecular Spectroscopy 211:1, pages 16-30.
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J. Demaison, L. Margulès & James E. Boggs. (2000) The equilibrium N–H bond length. Chemical Physics 260:1-2, pages 65-81.
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Toshiyuki Takayanagi, Yuzuru Kurosaki & Keiichi Yokoyama. (2000) Ab initio molecular orbital calculations of potential energy surfaces for the N(4S, 2D, 2P)+H2 reactions. Chemical Physics Letters 321:1-2, pages 106-112.
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Hironobu Kobayashi, Toshiyuki Takayanagi & Shigeru Tsunashima. (1997) Studies of the N(2D) + H2 reaction on revised potential energy surfaces. Chemical Physics Letters 277:1-3, pages 20-26.
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R. Vetter, L. Zülicke, A. Koch, E. F. van Dishoeck & S. D. Peyerimhoff. (1996) Photodissociation of NH2: Two-dimensional potential energy surfaces for the dissociation into NH and H. The Journal of Chemical Physics 104:14, pages 5558-5571.
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Per Jensen. (2016) The MORBID Method. International Astronomical Union Colloquium 146, pages 353-365.
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Per Jensen. 1994. Molecules in the Stellar Environment. Molecules in the Stellar Environment 353 365 .
Walter Hack, Reinhard Haubold, Claudia Heinrich-Sterzel, Hannelore Keller-Rudek, Ulrike Ohms-Bredemann, Dag Schiöberg & Carol StrametzWalter Hack, Reinhard Haubold, Claudia Heinrich-Sterzel, Hannelore Keller-Rudek, Ulrike Ohms-Bredemann, Dag Schiöberg & Carol Strametz. 1993. N Nitrogen. N Nitrogen 14 278 .
J. M. L. Martin, J. P. François & R. Gijbels. (1992) First principles computation of thermochemical properties beyond the harmonic approximation. II. Application to the amino radical NH2. The Journal of Chemical Physics 97:5, pages 3530-3536.
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Vincenzo Barone, Per Jensen & Camilla Minichino. (1992) Vibro-rotational analysis of Si2C from an ab initio potential energy surface. A comparison between perturbative and variational methods. Journal of Molecular Spectroscopy 154:2, pages 252-264.
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Per Jensen. 1992. Methods in Computational Molecular Physics. Methods in Computational Molecular Physics 423 469 .

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